[1-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine

C12H23F3N2O — CID 103151626

IUPAC[1-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESCC1CCC(C(CCOCC(F)(F)F)NN)CC1
InChIInChI=1S/C12H23F3N2O/c1-9-2-4-10(5-3-9)11(17-16)6-7-18-8-12(13,14)15/h9-11,17H,2-8,16H2,1H3
InChIKeyXJCDDLDJPGMGKN-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.61
Rot. Bonds6

About [1-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine

[1-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (PubChem CID 103151626) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is [1-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.

Molecular Properties

Compound Name[1-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
PubChem CID103151626
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name[1-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESCC1CCC(C(CCOCC(F)(F)F)NN)CC1
InChIInChI=1S/C12H23F3N2O/c1-9-2-4-10(5-3-9)11(17-16)6-7-18-8-12(13,14)15/h9-11,17H,2-8,16H2,1H3
InChIKeyXJCDDLDJPGMGKN-UHFFFAOYSA-N
XLogP2.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(8,8,8-Trifluoro-2-methoxy-2-methyloctan-4-yl)hydrazine
CID 103025443
[1-(4,4-Difluorocyclohexyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026280
[4-Methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentyl]hydrazine
CID 103026334
[4-Methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentyl]hydrazine
CID 103026483
1-(3-Ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148082
1-(3,5-Dimethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148201
3-(2,2-Difluoroethoxy)-1-(3-methylcyclohexyl)propan-1-amine
CID 103148837
3-(2,2-Difluoroethoxy)-1-(4-methylcyclohexyl)propan-1-amine
CID 103148920
3-(2,2-Difluoroethoxy)-1-(3-ethylcyclohexyl)propan-1-amine
CID 103148965
3-(2,2-Difluoroethoxy)-1-(3,5-dimethylcyclohexyl)propan-1-amine
CID 103149109
[1-Cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151444
[7-Methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine
CID 103151446

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The IUPAC name of [1-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (CID 103151626) is [1-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.
What is the SMILES notation for [1-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The canonical SMILES for [1-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is CC1CCC(C(CCOCC(F)(F)F)NN)CC1.
What is the InChIKey of [1-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The InChIKey is XJCDDLDJPGMGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-9-2-4-10(5-3-9)11(17-16)6-7-18-8-12(13,14)15/h9-11,17H,2-8,16H2,1H3.
What are the key properties of [1-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
[1-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine has a molecular weight of 268.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is sourced from PubChem (CID 103151626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).